CAS 52092-43-0 2-Bromo-4-nitropyridine N-oxide (HCID 3904026)

基本情報

CAS: 52092-43-0
標準SMILES: O=[N+]([O-])c1cc[n+]([O-])c(Br)c1
InChIKey: IRBDHXCXCSFNEQ-UHFFFAOYSA-N
分子式: C5H3BrN2O3
平均分子量: 218.99 g/mol
単同位体質量: 217.9327

名称と識別子

優先名称: 2-Bromo-4-nitropyridine N-oxide
IUPAC: 2-bromo-4-nitro-1-oxidopyridin-1-ium
現地名: 2-ブロモ-4-ニトロピリジンN-オキシド
英語名: 2-Bromo-4-nitropyridine 1-oxide
分子式: C5H3BrN2O3
分子量: 218.99

名称と別名

2-Bromo-4-nitropyridine N-oxideRefChem:466611661-534-352092-43-02-bromo-4-nitropyridine 1-oxide2-bromo-4-nitro-1-oxidopyridin-1-iumMFCD00160743SCHEMBL14243232-Bromo-4-nitropyridine-n-oxideAKOS005259387SY014602B3145

名称をさらに表示

2-ブロモ-4-ニトロピリジンN-オキシド2-ブロモ-4-ニトロピリジン N-オキシド2-ブロモ-4-ニトロピリジンN-オキシド, 97%Nsc1741302-BROMO-4-NITROPYRIDINE1N-OXIDE2-broMo-4-nitropyridine-1-O×ide2-Bromo-4-nitropyridine N-Oxide >2-bromo-4-nitro-1-oxidopyridin-1-ium2-broMo-4-nitro-1$l^{5}-pyridin-1-one2-Bromo-4-nitropyridine nitrogen oxide

2-Bromo-4-nitro-1-oxo-1lambda~5~-pyridine2-bromo-4-nitropyridin-1-ol2-BROMO-4-NITROPYRIDIN-1-IUM-1-OLATEPYRIDINE, 2-BROMO-4-NITRO-, 1-OXIDE2-Bromo-4-nitropyridine1-oxideMFCD001600743FT-0655220A828919

データベース識別子

CAS: 52092-43-0
PubChem CID: 3904026
DTXSID: DTXSID00397866
EC Number: 661-534-3
Nikkaji: J1.352.731H

物性

構造計算による物性

XLogP: 0.7
極性表面積: 71.3 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 0
重原子数: 11
形式電荷: 0
複雑度: 160

物理化学的性質

融点: 143 · 143-146°C
沸点: 430.2 · 430.2±25.0 °C(Predicted)
比重(密度): 1.98 · 1.98±0.1 g/cm3(Predicted)
酸解離定数(Pka): -2.53 · -2.53±0.10(Predicted)
外見: powder to crystal
色: Light orange to Yellow to Green
BRN: 145698 · 145698
InChI: InChI=1S/C5H3BrN2O3/c6-5-3-4(8(10)11)1-2-7(5)9/h1-3H
InChIKey: IRBDHXCXCSFNEQ-UHFFFAOYSA-N
SMILES: C1(Br)[N+]([O-])=CC=C([N+]([O-])=O)C=1
CAS データベース: 52092 · 52092-43-0(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (88.4%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H318 (88.4%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (11.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (97.7%)；Skin Irrit. 2 (100%)；Skin Sens. 1 (88.4%)；Eye Dam. 1 (88.4%)；Eye Irrit. 2 (11.6%)；STOT SE 3 (97.7%)

安全データ

ridadr: 2811
hs_code: 29333990
risk_code: 23/24/25-36/37/38
消防法: 危-5-II
safety_code: 22-26-36/37/39-36
hazard_class: 6.1
packing_group: III

化学と産業

応用分野

用途有機合成原料。

上流・下流製品情報

下流製品

サプライヤー97 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

化合物ノート

読み込み中…